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	hartrees
Energy at 0K	-628.148680
Energy at 298.15K	-628.156204
HF Energy	-627.336884
Nuclear repulsion energy	288.910853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3206	3023	4.05
2	A	3199	3017	0.29
3	A	3183	3002	4.29
4	A	3133	2954	18.40
5	A	3121	2943	9.71
6	A	3113	2936	3.38
7	A	1802	1699	128.00
8	A	1550	1462	2.87
9	A	1510	1424	7.20
10	A	1507	1422	10.56
11	A	1351	1274	10.24
12	A	1347	1270	12.81
13	A	1277	1204	22.66
14	A	1256	1184	4.98
15	A	1199	1131	11.31
16	A	1188	1120	42.57
17	A	1143	1078	4.69
18	A	1034	975	6.74
19	A	1019	961	2.01
20	A	913	861	6.61
21	A	873	823	0.68
22	A	819	773	0.79
23	A	758	715	5.61
24	A	717	677	0.68
25	A	571	538	3.39
26	A	496	468	4.10
27	A	452	426	3.68
28	A	433	408	5.10
29	A	205	193	2.36
30	A	68	64	10.76

Atom	x (Å)	y (Å)	z (Å)
C1	-1.168	-0.085	-0.019
C2	-0.508	1.274	-0.214
H3	-1.111	2.043	0.277
H4	-0.504	1.481	-1.292
C5	0.913	1.181	0.314
H6	0.948	1.305	1.400
H7	1.583	1.910	-0.145
C8	-0.137	-1.205	0.162
S9	1.501	-0.492	-0.150
H10	-0.348	-2.011	-0.546
O11	-2.370	-0.281	0.008
H12	-0.226	-1.605	1.178

	C1	C2	H3	H4	C5	H6	H7	C8	S9	H10	O11	H12
C1		1.5229	2.1492	2.1246	2.4585	2.9020	3.4005	1.5331	2.7029	2.1584	1.2187	2.1515
C2	1.5229		1.0936	1.0973	1.5194	2.1742	2.1873	2.5351	2.6759	3.3053	2.4359	3.2101
H3	2.1492	1.0936		1.7735	2.2004	2.4587	2.7303	3.3934	3.6649	4.2063	2.6573	3.8605
H4	2.1246	1.0973	1.7735		2.1625	3.0632	2.4196	3.0765	3.0360	3.5741	2.8769	3.9621
C5	2.4585	1.5194	2.2004	2.1625		1.0934	1.0913	2.6121	1.8329	3.5382	3.6075	3.1314
H6	2.9020	2.1742	2.4587	3.0632	1.0934		1.7764	3.0025	2.4364	4.0573	3.9330	3.1460
H7	3.4005	2.1873	2.7303	2.4196	1.0913	1.7764		3.5722	2.4034	4.3891	4.5227	4.1686
C8	1.5331	2.5351	3.3934	3.0765	2.6121	3.0025	3.5722		1.8139	1.0924	2.4218	1.0951
S9	2.7029	2.6759	3.6649	3.0360	1.8329	2.4364	2.4034	1.8139		2.4257	3.8803	2.4459
H10	2.1584	3.3053	4.2063	3.5741	3.5382	4.0573	4.3891	1.0924	2.4257		2.7178	1.7745
O11	1.2187	2.4359	2.6573	2.8769	3.6075	3.9330	4.5227	2.4218	3.8803	2.7178		2.7787
H12	2.1515	3.2101	3.8605	3.9621	3.1314	3.1460	4.1686	1.0951	2.4459	1.7745	2.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	109.356	C1	C2	H4	107.237
C1	C2	C5	107.819	C1	C8	S9	107.419
C1	C8	H10	109.438	C1	C8	H12	108.751
C2	C1	C8	112.104	C2	C1	O11	125.002
C2	C5	H6	111.601	C2	C5	H7	112.795
C2	C5	S9	105.541	H3	C2	H4	108.089
H3	C2	C5	113.725	H4	C2	C5	110.421
C5	S9	C8	91.490	H6	C5	H7	108.802
H6	C5	S9	110.152	H7	C5	S9	107.839
C8	C1	O11	122.891	S9	C8	H10	110.689
S9	C8	H12	112.071	H10	C8	H12	108.430

All results from a given calculation for C₄H₆OS (Dihydro-3-(2H)-thiophenone)

using model chemistry: MP2/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C4H6OS (Dihydro-3-(2H)-thiophenone)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for C₄H₆OS (Dihydro-3-(2H)-thiophenone)